N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide

C22H25N3O — CID 134001832

IUPACN-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
SMILESN#CCCN(C(=O)CN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O/c23-14-7-15-25(21-10-5-2-6-11-21)22(26)18-24-16-12-20(13-17-24)19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-13,15-18H2
InChIKeyKLHDDNDLNVXBSV-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.81
Rot. Bonds6

About N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide

N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide (PubChem CID 134001832) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
PubChem CID134001832
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
SMILESN#CCCN(C(=O)CN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O/c23-14-7-15-25(21-10-5-2-6-11-21)22(26)18-24-16-12-20(13-17-24)19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-13,15-18H2
InChIKeyKLHDDNDLNVXBSV-UHFFFAOYSA-N
XLogP3.81
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 78789242
2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide
CID 17473917
N-(2-cyanoethyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylacetamide
CID 78792864
N-(2-cyanoethyl)-2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-N-phenylacetamide
CID 51728114
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447
N-(2-cyanoethyl)-N-phenyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47535207
2-(2-benzylpyrrolidin-1-yl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 47019444
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 79159548
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 24565043
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56515823
N'-(2-cyanoethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N'-phenylbutanediamide
CID 56505702

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide (CID 134001832) is N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide is N#CCCN(C(=O)CN1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide?
The InChIKey is KLHDDNDLNVXBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c23-14-7-15-25(21-10-5-2-6-11-21)22(26)18-24-16-12-20(13-17-24)19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-13,15-18H2.
What are the key properties of N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide?
N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 134001832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).